BioExcel Webinar #19 - Hybrid Molecular Mechanics/Coarse-Grained approaches to model proteins

Multiscale molecular dynamics approaches couple, in the same simulation, descriptions of the system at different resolutions. In particular, the so-called Molecular Mechanics/Coarse-Grained approach has been proven to be an optimal alternative to all-atom simulations when the absence of structural experimental data and the low sequence identity with templates limit the reliability of protein models, as in the case of G protein-coupled receptor/ligand complexes. In this webinar an overview of this method with some applications and recent developments will be provided